7EF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O05 | C04 | sing | 1.36Å | 1.40Å | |
| C04 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C04 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | O01 | sing | 1.36Å | 1.41Å | |
| C02 | C08 | doub | 1.40Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.40Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.47Å | 1.51Å | |
| C25 | C24 | sing | 1.51Å | 1.51Å | |
| C09 | N21 | sing | 1.35Å | 1.34Å | Aromatic |
| C09 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C22 | N21 | sing | 1.46Å | 1.42Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C24 | C23 | doub | 1.31Å | 1.35Å | |
| C24 | C26 | sing | 1.51Å | 1.51Å | |
| N21 | N20 | sing | 1.40Å | 1.36Å | Aromatic |
| C19 | C10 | sing | 1.41Å | 1.42Å | Aromatic |
| C19 | C18 | doub | 1.36Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.47Å | 1.37Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| N20 | C11 | doub | 1.32Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.41Å | 1.42Å | Aromatic |
| C17 | C12 | doub | 1.36Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| F14 | C13 | sing | 1.40Å | 1.34Å | |
| C13 | F16 | sing | 1.40Å | 1.34Å | |
| C13 | F15 | sing | 1.40Å | 1.34Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| O05 | H3 | sing | 0.97Å | 0.95Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O05 | C04 | C03 | 119.8° | 119.8° |
| O05 | C04 | C06 | 119.9° | 119.9° |
| C04 | O05 | H3 | 109.5° | 114.0° |
| C03 | C04 | C06 | 120.3° | 120.3° |
| C04 | C03 | C02 | 119.7° | 120.0° |
| C04 | C03 | H2 | 120.2° | 120.0° |
| C04 | C06 | C07 | 119.9° | 120.2° |
| C04 | C06 | H4 | 120.1° | 119.9° |
| C03 | C02 | O01 | 119.7° | 120.1° |
| C03 | C02 | C08 | 120.2° | 119.8° |
| C02 | C03 | H2 | 120.1° | 120.0° |
| C06 | C07 | C08 | 120.0° | 120.0° |
| C07 | C06 | H4 | 120.0° | 119.9° |
| C06 | C07 | H5 | 120.0° | 120.1° |
| O01 | C02 | C08 | 120.2° | 120.1° |
| C02 | O01 | H1 | 109.5° | 114.0° |
| C02 | C08 | C07 | 119.9° | 119.7° |
| C02 | C08 | C09 | 120.4° | 120.1° |
| C07 | C08 | C09 | 119.7° | 120.2° |
| C08 | C07 | H5 | 120.0° | 120.0° |
| C08 | C09 | N21 | 125.9° | 126.3° |
| C08 | C09 | C10 | 126.3° | 126.3° |
| C25 | C24 | C23 | 119.8° | 120.0° |
| C25 | C24 | C26 | 119.9° | 120.0° |
| C24 | C25 | H12 | 109.5° | 109.5° |
| C24 | C25 | H13 | 109.4° | 109.5° |
| C24 | C25 | H14 | 109.5° | 109.5° |
| N21 | C09 | C10 | 107.8° | 107.5° |
| C09 | N21 | C22 | 124.1° | 125.1° |
| C09 | N21 | N20 | 109.7° | 109.9° |
| C09 | C10 | C19 | 132.6° | 134.8° |
| C09 | C10 | C11 | 107.2° | 106.4° |
| N21 | C22 | C23 | 114.0° | 109.5° |
| C22 | N21 | N20 | 126.2° | 125.1° |
| N21 | C22 | H9 | 108.3° | 109.5° |
| N21 | C22 | H10 | 108.3° | 109.5° |
| C22 | C23 | C24 | 120.3° | 120.0° |
| C23 | C22 | H9 | 108.3° | 109.5° |
| C23 | C22 | H10 | 108.3° | 109.5° |
| C22 | C23 | H11 | 119.9° | 120.0° |
| C23 | C24 | C26 | 120.3° | 120.0° |
| C24 | C23 | H11 | 119.9° | 120.0° |
| C24 | C26 | H15 | 109.5° | 109.5° |
| C24 | C26 | H16 | 109.5° | 109.5° |
| C24 | C26 | H17 | 109.4° | 109.4° |
| N21 | N20 | C11 | 107.3° | 109.3° |
| C10 | C19 | C18 | 120.0° | 119.6° |
| C19 | C10 | C11 | 120.2° | 118.8° |
| C10 | C19 | H8 | 120.0° | 120.2° |
| C19 | C18 | C17 | 119.8° | 121.6° |
| C19 | C18 | H7 | 120.1° | 119.2° |
| C18 | C19 | H8 | 120.0° | 120.2° |
| C10 | C11 | N20 | 108.0° | 107.0° |
| C10 | C11 | C12 | 119.9° | 118.5° |
| C18 | C17 | C12 | 120.1° | 121.7° |
| C18 | C17 | H6 | 120.0° | 119.1° |
| C17 | C18 | H7 | 120.1° | 119.2° |
| N20 | C11 | C12 | 132.2° | 134.5° |
| C11 | C12 | C17 | 120.0° | 119.6° |
| C11 | C12 | C13 | 119.2° | 120.2° |
| C17 | C12 | C13 | 120.8° | 120.2° |
| C12 | C17 | H6 | 119.9° | 119.2° |
| C12 | C13 | F14 | 109.0° | 109.5° |
| C12 | C13 | F16 | 109.0° | 109.4° |
| C12 | C13 | F15 | 110.0° | 109.5° |
| F14 | C13 | F16 | 109.8° | 109.5° |
| F14 | C13 | F15 | 109.4° | 109.5° |
| F16 | C13 | F15 | 109.6° | 109.4° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H12 | C25 | H13 | 109.5° | 109.5° |
| H12 | C25 | H14 | 109.4° | 109.4° |
| H13 | C25 | H14 | 109.5° | 109.4° |
| H15 | C26 | H16 | 109.5° | 109.5° |
| H15 | C26 | H17 | 109.5° | 109.5° |
| H16 | C26 | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O05 | C04 | C03 | C06 | 179.9° | 180.0° |
| O05 | C04 | C03 | C02 | 179.7° | 180.0° |
| O05 | C04 | C06 | C07 | 179.9° | 180.0° |
| O05 | C04 | C03 | H2 | 0.3° | 0.0° |
| O05 | C04 | C06 | H4 | 0.1° | 0.1° |
| C04 | C03 | C02 | H2 | 180.0° | 180.0° |
| C03 | C04 | C06 | C07 | 0.0° | 0.0° |
| C04 | C03 | C02 | O01 | 180.0° | 180.0° |
| C04 | C03 | C02 | C08 | 0.3° | 0.3° |
| C03 | C04 | O05 | H3 | 180.0° | 90.0° |
| C03 | C04 | C06 | H4 | 180.0° | 180.0° |
| C06 | C04 | C03 | C02 | 0.2° | 0.1° |
| C04 | C06 | C07 | H4 | 180.0° | 179.9° |
| C04 | C06 | C07 | C08 | 0.0° | 0.3° |
| C06 | C04 | C03 | H2 | 179.8° | 180.0° |
| C06 | C04 | O05 | H3 | 0.1° | 89.9° |
| C04 | C06 | C07 | H5 | 179.9° | 180.0° |
| C03 | C02 | O01 | C08 | 179.6° | 179.7° |
| C03 | C02 | C08 | C07 | 0.3° | 0.5° |
| C03 | C02 | C08 | C09 | 179.5° | 179.7° |
| C03 | C02 | O01 | H1 | 180.0° | 89.8° |
| C06 | C07 | C08 | C02 | 0.1° | 0.5° |
| C06 | C07 | C08 | H5 | 180.0° | 179.7° |
| C06 | C07 | C08 | C09 | 179.7° | 179.7° |
| O01 | C02 | C08 | C07 | 179.9° | 179.8° |
| O01 | C02 | C08 | C09 | 0.1° | 0.0° |
| O01 | C02 | C03 | H2 | 0.1° | 0.0° |
| C02 | C08 | C07 | C09 | 179.8° | 179.8° |
| C02 | C08 | C09 | N21 | 62.9° | 90.0° |
| C02 | C08 | C09 | C10 | 117.6° | 90.3° |
| C08 | C02 | O01 | H1 | 0.4° | 89.9° |
| C08 | C02 | C03 | H2 | 179.7° | 179.7° |
| C02 | C08 | C07 | H5 | 179.9° | 179.7° |
| C07 | C08 | C09 | N21 | 116.9° | 90.2° |
| C07 | C08 | C09 | C10 | 62.6° | 89.5° |
| C08 | C07 | C06 | H4 | 180.0° | 179.8° |
| C08 | C09 | N21 | C10 | 179.6° | 179.8° |
| C08 | C09 | N21 | C22 | 0.2° | 0.0° |
| C08 | C09 | N21 | N20 | 179.9° | 179.9° |
| C08 | C09 | C10 | C19 | 0.3° | 0.1° |
| C08 | C09 | C10 | C11 | 179.8° | 180.0° |
| C09 | C08 | C07 | H5 | 0.3° | 0.0° |
| C25 | C24 | C23 | C22 | 1.2° | 174.0° |
| C25 | C24 | C23 | C26 | 179.3° | 180.0° |
| C25 | C24 | C23 | H11 | 178.8° | 6.0° |
| C24 | C25 | H12 | H13 | 120.0° | 120.1° |
| C24 | C25 | H12 | H14 | 120.0° | 120.0° |
| C24 | C25 | H13 | H14 | 120.0° | 120.0° |
| C25 | C24 | C26 | H15 | 180.0° | 95.3° |
| C25 | C24 | C26 | H16 | 60.0° | 24.7° |
| C25 | C24 | C26 | H17 | 60.0° | 144.7° |
| C09 | N21 | C22 | N20 | 180.0° | 179.9° |
| C09 | N21 | C22 | C23 | 167.8° | 90.0° |
| N21 | C09 | C10 | C19 | 179.9° | 179.7° |
| N21 | C09 | C10 | C11 | 0.2° | 0.2° |
| C09 | N21 | N20 | C11 | 0.2° | 0.4° |
| C09 | N21 | C22 | H9 | 47.2° | 150.0° |
| C09 | N21 | C22 | H10 | 71.5° | 30.0° |
| C10 | C09 | N21 | C22 | 179.8° | 179.8° |
| C10 | C09 | N21 | N20 | 0.3° | 0.4° |
| C09 | C10 | C19 | C11 | 179.8° | 179.9° |
| C09 | C10 | C19 | C18 | 179.8° | 179.9° |
| C09 | C10 | C11 | N20 | 0.1° | 0.0° |
| C09 | C10 | C11 | C12 | 179.8° | 180.0° |
| C09 | C10 | C19 | H8 | 0.1° | 0.1° |
| N21 | C22 | C23 | H9 | 120.7° | 120.0° |
| N21 | C22 | C23 | H10 | 120.7° | 120.0° |
| N21 | C22 | C23 | C24 | 86.0° | 120.9° |
| C22 | N21 | N20 | C11 | 179.9° | 179.7° |
| N21 | C22 | H9 | H10 | 117.9° | 120.0° |
| N21 | C22 | C23 | H11 | 94.0° | 59.1° |
| C22 | C23 | C24 | H11 | 180.0° | 180.0° |
| C22 | C23 | C24 | C26 | 179.5° | 6.0° |
| C23 | C22 | N21 | N20 | 12.1° | 89.9° |
| C23 | C22 | H9 | H10 | 117.9° | 120.0° |
| C24 | C23 | C22 | H9 | 34.7° | 0.9° |
| C24 | C23 | C22 | H10 | 153.4° | 119.1° |
| C23 | C24 | C25 | H12 | 180.0° | 90.0° |
| C23 | C24 | C25 | H13 | 60.0° | 150.0° |
| C23 | C24 | C25 | H14 | 60.0° | 30.0° |
| C23 | C24 | C26 | H15 | 0.7° | 84.6° |
| C23 | C24 | C26 | H16 | 119.3° | 155.3° |
| C23 | C24 | C26 | H17 | 120.7° | 35.3° |
| C26 | C24 | C23 | H11 | 0.5° | 174.0° |
| C26 | C24 | C25 | H12 | 0.7° | 90.1° |
| C26 | C24 | C25 | H13 | 119.3° | 30.0° |
| C26 | C24 | C25 | H14 | 120.7° | 150.0° |
| C24 | C26 | H15 | H16 | 120.0° | 120.0° |
| C24 | C26 | H15 | H17 | 120.0° | 120.0° |
| C24 | C26 | H16 | H17 | 120.0° | 119.9° |
| N21 | N20 | C11 | C10 | 0.0° | 0.2° |
| N21 | N20 | C11 | C12 | 180.0° | 179.7° |
| N20 | N21 | C22 | H9 | 132.8° | 30.2° |
| N20 | N21 | C22 | H10 | 108.6° | 150.2° |
| C10 | C19 | C18 | H8 | 180.0° | 179.9° |
| C10 | C19 | C18 | C17 | 0.1° | 0.1° |
| C19 | C10 | C11 | N20 | 180.0° | 179.9° |
| C19 | C10 | C11 | C12 | 0.0° | 0.1° |
| C10 | C19 | C18 | H7 | 179.9° | 180.0° |
| C18 | C19 | C10 | C11 | 0.0° | 0.1° |
| C19 | C18 | C17 | H7 | 180.0° | 179.9° |
| C19 | C18 | C17 | C12 | 0.2° | 0.1° |
| C19 | C18 | C17 | H6 | 179.8° | 180.0° |
| C10 | C11 | N20 | C12 | 180.0° | 180.0° |
| C10 | C11 | C12 | C17 | 0.2° | 0.0° |
| C10 | C11 | C12 | C13 | 179.9° | 180.0° |
| C11 | C10 | C19 | H8 | 179.9° | 180.0° |
| C18 | C17 | C12 | C11 | 0.3° | 0.0° |
| C18 | C17 | C12 | H6 | 180.0° | 180.0° |
| C18 | C17 | C12 | C13 | 179.9° | 180.0° |
| C17 | C18 | C19 | H8 | 179.9° | 180.0° |
| N20 | C11 | C12 | C17 | 179.9° | 179.9° |
| N20 | C11 | C12 | C13 | 0.1° | 0.1° |
| C11 | C12 | C17 | C13 | 179.8° | 180.0° |
| C11 | C12 | C13 | F14 | 65.4° | 60.0° |
| C11 | C12 | C13 | F16 | 54.5° | 180.0° |
| C11 | C12 | C13 | F15 | 174.7° | 60.0° |
| C11 | C12 | C17 | H6 | 179.7° | 180.0° |
| C17 | C12 | C13 | F14 | 114.9° | 120.0° |
| C17 | C12 | C13 | F16 | 125.3° | 0.0° |
| C17 | C12 | C13 | F15 | 5.1° | 120.0° |
| C12 | C17 | C18 | H7 | 179.8° | 180.0° |
| C12 | C13 | F14 | F16 | 119.4° | 120.0° |
| C12 | C13 | F14 | F15 | 120.3° | 120.0° |
| C12 | C13 | F16 | F15 | 120.4° | 119.9° |
| C13 | C12 | C17 | H6 | 0.0° | 0.0° |
| F14 | C13 | F16 | F15 | 120.2° | 120.1° |
| H4 | C06 | C07 | H5 | 0.1° | 0.0° |
| H6 | C17 | C18 | H7 | 0.2° | 0.0° |
| H7 | C18 | C19 | H8 | 0.1° | 0.1° |
| H9 | C22 | C23 | H11 | 145.3° | 179.1° |
| H10 | C22 | C23 | H11 | 26.6° | 60.9° |
| H12 | C25 | H13 | H14 | 120.0° | 120.0° |
| H15 | C26 | H16 | H17 | 120.0° | 120.0° |
